Chemical Properties of Trimethyl isocitrate

InChI

InChI=1S/C10H16O6/c1-6(9(12)15-3)7(10(13)16-4)5-8(11)14-2/h6-7H,5H2,1-4H3

InChI Key

QJJJDRPIBYWIHG-UHFFFAOYSA-N

Formula

C10H16O6

SMILES

COC(=O)CC(C(=O)OC)C(C)C(=O)OC

Molecular Weight¹

232.23

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.00; 560.64]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.66610e+01
Coefficient B			8.01280e-01
Coefficient C			-2.42800e-04
Coefficient D			-6.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.00	J/mol×K	273.00	Calculated Property
Cp,gas	316.89	J/mol×K	353.78	Calculated Property
Cp,gas	363.72	J/mol×K	434.56	Calculated Property
Cp,gas	406.28	J/mol×K	515.33	Calculated Property
Cp,gas	444.37	J/mol×K	596.11	Calculated Property
Cp,gas	477.79	J/mol×K	676.89	Calculated Property
Cp,gas	506.33	J/mol×K	757.67	Calculated Property
Cp,gas	529.79	J/mol×K	838.44	Calculated Property
Cp,gas	547.96	J/mol×K	919.22	Calculated Property
Cp,gas	560.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066365; 0.0001465]	Pa×s	[299.45; 551.84]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.33533e+01
Coefficient B			2.49684e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			299.45
Temperature range, max.			551.84
η	0.0066365	Pa×s	299.45	Calculated Property
η	0.0032498	Pa×s	327.49	Calculated Property
η	0.0017811	Pa×s	355.54	Calculated Property
η	0.0010659	Pa×s	383.58	Calculated Property
η	0.0006841	Pa×s	411.62	Calculated Property
η	0.0004646	Pa×s	439.66	Calculated Property
η	0.0003305	Pa×s	467.71	Calculated Property
η	0.0002444	Pa×s	495.75	Calculated Property
η	0.0001866	Pa×s	523.79	Calculated Property
η	0.0001465	Pa×s	551.84	Calculated Property

Similar Compounds

Find more compounds similar to Trimethyl isocitrate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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